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(S)-(-)-1-[1-(Hydroxymethylpropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
SpectraBase Compound ID a32wwJDDR2
InChI InChI=1S/C12H19NO2/c1-5-11(7-14)13-8(2)6-12(9(13)3)10(4)15/h6,11,14H,5,7H2,1-4H3/t11-/m0/s1
InChIKey NNKMFRONIVRCHV-NSHDSACASA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eeNUgAuaO
Name (S)-(-)-1-[1-(Hydroxymethylpropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-5-11(7-14)13-8(2)6-12(9(13)3)10(4)15/h6,11,14H,5,7H2,1-4H3/t11-/m0/s1
InChIKey NNKMFRONIVRCHV-NSHDSACASA-N
Molecular Weight 209.289 g/mol
SMILES OC[C@@]([n]1c(c(cc1C)C(=O)C)C)(CC)[H]
SPLASH splash10-05g0-0940000000-d04f29af5b5b2b5b8615
Source of Spectrum KD-12-2718-3
Synonyms 1-{1-[(1S)-1-(hydroxymethyl)propyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethanone
Wiley ID 1634716